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BDBM194272 US9199999, 10

SMILES: CC(C)(O)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCO

InChI Key: InChIKey=KRTBEZVYGAAVCC-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 194272   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM194272
PNG
(US9199999, 10)
Show SMILES CC(C)(O)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCO
Show InChI InChI=1S/C23H25N5O3/c1-23(2,31)14-25-20-21-24-12-19(28(21)13-18(26-20)4-3-11-29)15-5-7-16(8-6-15)22(30)27-17-9-10-17/h5-8,12-13,17,29,31H,9-11,14H2,1-2H3,(H,25,26)(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 38n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...


US Patent US9199999 (2015)


BindingDB Entry DOI: 10.7270/Q2348J68
More data for this
Ligand-Target Pair